Spektraris NMR
(-)-comosol
Common Name: (-)-comosol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h13-14,16-17H,1,4-9H2,2-3H3/b12-11+/t13-,14+,15+/m1/s1
InChIKey: InChIKey=WOUWIAPWHCZUBH-RQOPNEMTSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, F., Nakamura, S., Qu, Y., Matsuda, H., Pongpiriyadacha, Y., Wu, L., Yoshikawa, M. Chem Pharm Bull (2008) 56, 1710-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 79.1 |
| 2 (CH2) | 31.4 |
| 3 (CH2) | 34.1 |
| 4 (C) | 148.8 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 28.1 |
| 7 (C) | 136.5 |
| 8 (CH2) | 25 |
| 9 (CH2) | 38.3 |
| 10 (C) | 40.5 |
| 11 (C) | 125.4 |
| 12 (CH3) | 16.4 |
| 13 (CH2) | 63.4 |
| 14 (CH3) | 9.8 |
| 15 (CH2) | 107 |
